Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

2-Amino-6-chloropurine-3',5'-di-O-acetyl-2'-deoxyriboside

2-Amino-6-chloropurine-3’,5’-di-O-acetyl-2’-deoxyriboside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 69992-11-6
  • MF: C14H16ClN5O5
  • MW: 369.76
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Physalin L

Physalin L inhibits LPS-induced NO production in macrophages with the average inhibitory rate of 70.97%. Anti-inflammatory activity[1].

  • CAS Number: 113146-74-0
  • MF: C28H32O10
  • MW: 528.548
  • Catalog: NO Synthase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 831.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 280.4±27.8 °C

CC-99677

CC-99677 is a potent, covalent, and irreversible inhibitor of the mitogen-activated protein (MAP) kinase-activated protein kinase-2 (MK2) pathway in both biochemical (IC50=156.3 nM) and cell based assays (EC50=89 nM). CC-99677 is extracted from patent WO2020236636, compound 1[1].

  • CAS Number: 1887069-10-4
  • MF: C22H20ClN5O3S
  • MW: 469.94
  • Catalog: MAPKAPK2 (MK2)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,4-Benzenedicarboxamide,N1,N4-bis[4-[(aminoiminomethyl)amino]phenyl]-

Antitubercular agent-37 is an antibacterial agent. Antitubercular agent-37 has antimycobacterial activity with an MIC values of 0.16 μg/mL. Antitubercular agent-37 can be used for the research of tuberculosis[1].

  • CAS Number: 21696-12-8
  • MF: C22H22N8O2
  • MW: 430.46
  • Catalog: Bacterial
  • Density: 1.42g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

[Lys5,MeLeu9,Nle10] -NKA(4-10)

[Lys5,MeLeu9,Nle10]-NKA(4-10) is a highly selective and potent NK2 receptor agonist, with an IC50 of 6.1 nM[1].

  • CAS Number: 137565-28-7
  • MF: C39H65N9O9
  • MW: 803.98800
  • Catalog: Neurokinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trioxifene

Trioxifene mesylate (LY133314) is an antiestrogenic compound. Trioxifene mesylate elicits mixed agonist-antagonist actions on estrogen target tissues[1].

  • CAS Number: 68307-81-3
  • MF: C31H35NO6S
  • MW: 549.67800
  • Catalog: Endocrinology
  • Density: N/A
  • Boiling Point: 633.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 336.9ºC

n-Octatriacontane-d78

n-Octatriacontane-d78 is the deuterium labeled n-Octatriacontane[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SMER18

SMER18 is a small molecule enhancer of rapamycin which act as a mTOR-independent autophagy inducer.Target: mTORSMER18 induces autophagy independently of Rapamycin in mammalian cells, enhancing the clearance of autophagy substrates such as mutant huntingtin and A53T alpha-synuclein, which are associated with Huntington's disease and familial Parkinson's disease, respectively. SMER18 acts either independently or downstream of the target of Rapamycin, attenuates mutant huntingtin-fragment toxicity in Huntington's disease cell and Drosophila melanogaster models, which suggests therapeutic potential.

  • CAS Number: 944153-47-3
  • MF: C16H14ClNO2
  • MW: 287.741
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 458.7±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 231.2±28.7 °C

Carbenicillin disodium

Carbenicillin disodium is a beta-lactam penicillin derivative that interference with final stage of bacterial cell wall synthesis.

  • CAS Number: 4800-94-6
  • MF: C17H16N2Na2O6S
  • MW: 422.363
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 737.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 400ºC

Sitagliptin phosphate monohydrate

Sitagliptin phosphate monohydrate is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts

  • CAS Number: 654671-77-9
  • MF: C16H20F6N5O6P
  • MW: 523.324
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: 529.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.3ºC

BI-2545

BI-2545 is a novel potent, selective, orally available Autotaxin inhibitor with IC50 of 2.1 and 3.4 nM for huamn and rat ATX, respectively; displays good potency in the LPA and rat whole blood assay (IC50=29 nM); shows substantial lowering of LPA in vivo, and excellent PK/Target Engagement relationship.

  • CAS Number: 2162961-71-7
  • MF: C23H19F6N5O3
  • MW: 527.427
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

11-Maleimidoundecanoic acid

11-Maleimidoundecanoic acid is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 57079-01-3
  • MF: C15H23NO4
  • MW: 281.347
  • Catalog: PROTAC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 452.8±18.0 °C at 760 mmHg
  • Melting Point: 89-90ºC
  • Flash Point: 227.6±21.2 °C

Isopropyl unoprostone

Isopropyl unoprostone (Unoprostone isopropyl ester), an analogue of a prostaglandin metabolite, is a potent large conductance Ca2+-activated K+ (BK) channels activator. Isopropyl unoprostone has antiglaucoma effects, lowering intraocular pressure (IOP) by increasing aqueous humour outflow. Isopropyl unoprostone can improve retinal sensitivity and the protection of central retinal sensitivity[1][2].

  • CAS Number: 120373-24-2
  • MF: C25H44O5
  • MW: 424.614
  • Catalog: Potassium Channel
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 546.3±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 172.2±22.2 °C

Antiviral agent 18

Antiviral agent 18 (Compound 5) is an anti-infection agent. Antiviral agent 18 results in good antiviral activity against murine norovirus. Antiviral agent 18 has the potential for the research of infectious and malignant diseases[1].

  • CAS Number: 2170185-97-2
  • MF: C11H13ClN4O4
  • MW: 300.70
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-Cys(THP)-OH

Fmoc-Cys(THP)-OH is a cysteine derivative[1].

  • CAS Number: 1673576-83-4
  • MF: C23H25NO5S
  • MW: 427.51
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fexofenadine-d10 (hydrochloride)

Fexofenadine-d10 (hydrochloride) is deuterium labeled Fexofenadine (hydrochloride). Fexofenadine hydrochloride (MDL-16455 hydrochloride), a H1R antagonist, is an anti-allergic agent used in seasonal allergic rhinitis and chronic idiopathic urticarial (person aged ≥16 years)[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SMO-IN-2

SMO-IN-2 (compound 1) is a potent smoothened (SMO) inhibitor with an IC50 value of 123.4 nM for hedgehog (Hh) signaling pathway. SMO-IN-2 has antiproliferative activity against human medulloblastoma cell line Daoy. Anticancer activity[1].

  • CAS Number: 1822355-27-0
  • MF: C25H25F4N5O2
  • MW: 503.49
  • Catalog: Hedgehog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isobergapten

Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1].

  • CAS Number: 482-48-4
  • MF: C12H8O4
  • MW: 216.189
  • Catalog: Others
  • Density: 1.368
  • Boiling Point: 412.4±45.0 °C at 760 mmHg
  • Melting Point: 224 ºC
  • Flash Point: 203.2±28.7 °C

Z-Phe-His-Leu-OH

Z-Phe-His-Leu is the substrate of plasma converting enzyme, with enhanced discriminating power at peak converting enzyme inhibition[1].

  • CAS Number: 28458-19-7
  • MF: C29H35N5O6
  • MW: 549.62
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flumequine

Flumequine is a quinolone antibiotic, and acts as a topoisomerase II inhibitor, with an IC50 of 15 μM (3.92 μg/mL).

  • CAS Number: 42835-25-6
  • MF: C14H12FNO3
  • MW: 261.248
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 439.7±45.0 °C at 760 mmHg
  • Melting Point: 253-255°C
  • Flash Point: 219.7±28.7 °C

L-Valine

L-Valine is one of 20 proteinogenic amino acids. L-Valine is an essential amino acid.

  • CAS Number: 72-18-4
  • MF: C5H11NO2
  • MW: 117.146
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 213.6±23.0 °C at 760 mmHg
  • Melting Point: 315ºC
  • Flash Point: 83.0±22.6 °C

Rivaroxaban Impurity 3

Dechloro Rivaroxaban is a highly selective, orally active inhibitor of Factor Xa. Dechloro Rivaroxaban inhibits human free FXa with a Ki of 0.4 nM. Dechloro Rivaroxaban inhibits prothrombinase activity and fibrin-associated FXa activity with IC50s of 2.1 nM and 92 nM, respectively[1].

  • CAS Number: 1415566-28-7
  • MF: C19H19N3O5S
  • MW: 401.44
  • Catalog: Factor Xa
  • Density: 1.400±0.06 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: 758.0±60.0 °C(Predicted)
  • Melting Point: 216-218 °C
  • Flash Point: N/A

Sulfamethoxazole sodium

Sulfamethoxazole sodium (Ro 4-2130 sodium) is a sulfonamide bacteriostatic antibiotic[1]. Sulfamethoxazole sodium is used to treat various urinary tract pathogens and in combination with Trimethoprim is considered the gold standard in the treatment of urinary tract infections (UTIs)[2].

  • CAS Number: 4563-84-2
  • MF: C10H10N3NaO3S
  • MW: 275.259
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Loviride

Loviride (R 89439) is a non-nucleoside reverse transcriptase inhibitor (NNRTI), with IC50s of 0.3 µM for reverse transcriptase from HIV-1. Loviride (R 89439) inhibits HIV-1, HIV-2 and SIV replication in MT-4 cells[1].

  • CAS Number: 147362-57-0
  • MF: C17H16Cl2N2O2
  • MW: 351.22700
  • Catalog: HIV
  • Density: 1.354g/cm3
  • Boiling Point: 550.3ºC at 760mmHg
  • Melting Point: 226.3 °C
  • Flash Point: 286.6ºC

S-Allylcysteine

S-Allyl-D-cysteine is a cysteine derivative[1].

  • CAS Number: 770742-93-3
  • MF: C6H11NO2S
  • MW: 161.222
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 300.3±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 135.4±27.9 °C

NGB 2904

NGB 2904 is an orally active and selective dopamine (DA) D3 receptor antagonist. NGB 2904 can be used for the research of cocaine addiction[1].

  • CAS Number: 189060-98-8
  • MF: C28H30Cl3N3O
  • MW: 530.91600
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: 708.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 382.4ºC

LCL521 dihydrochloride

LCL521 dihydrochloride is an acid ceramidase (ACDase) inhibitor. LCL521 also inhibits the lysosomal acid sphingomyelinase (ASMase).

  • CAS Number: 1226759-47-2
  • MF: C31H54Cl2N4O7
  • MW: 665.69
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ticagrelor

Ticagrelor (AZD6140) is a reversible oral P2Y12 receptor antagonist for the treatment of platelet aggregation.

  • CAS Number: 274693-27-5
  • MF: C23H28F2N6O4S
  • MW: 522.568
  • Catalog: P2Y Receptor
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 777.6±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 424.0±35.7 °C

CHMFL-ABL/KIT-155

CHMFL-ABL/KIT-155 (CHMFL-ABL-KIT-155; compound 34) is a highly potent and orally active type II ABL/c-KIT dual kinase inhibitor (IC50s of 46 nM and 75 nM, respectively), and it also presents significant inhibitory activities to BLK (IC50=81 nM), CSF1R (IC50=227 nM), DDR1 (IC50=116 nM), DDR2 (IC50=325 nM), LCK (IC50=12 nM) and PDGFRβ (IC50=80 nM) kinases. CHMFL-ABL/KIT-155 (CHMFL-ABL-KIT-155) arrests cell cycle progression and induces apoptosis[1].

  • CAS Number: 2081093-21-0
  • MF: C33H38F3N5O3
  • MW: 609.68
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Amino-7,8-dihydro-8-oxo-9-(β-D-xylofuranosyl) guanine

1-Amino-7,8-dihydro-8-oxo-9-(β-D-xylofuranosyl) guanine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 2389988-21-8
  • MF: C10H14N6O6
  • MW: 314.25
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A